[2-(3-aminopyrrolidine-1-carbonyl)phenyl]-(4-bromophenyl)methanone

C18H17BrN2O2 — CID 126776764

IUPAC[2-(3-aminopyrrolidine-1-carbonyl)phenyl]-(4-bromophenyl)methanone
SMILESNC1CCN(C(=O)c2ccccc2C(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C18H17BrN2O2/c19-13-7-5-12(6-8-13)17(22)15-3-1-2-4-16(15)18(23)21-10-9-14(20)11-21/h1-8,14H,9-11,20H2
InChIKeyNUPQUAQGCSVEQY-UHFFFAOYSA-N
MW373.25 g/mol
LogP2.85
Rot. Bonds3

About [2-(3-aminopyrrolidine-1-carbonyl)phenyl]-(4-bromophenyl)methanone

[2-(3-aminopyrrolidine-1-carbonyl)phenyl]-(4-bromophenyl)methanone (PubChem CID 126776764) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is [2-(3-aminopyrrolidine-1-carbonyl)phenyl]-(4-bromophenyl)methanone.

Molecular Properties

Compound Name[2-(3-aminopyrrolidine-1-carbonyl)phenyl]-(4-bromophenyl)methanone
PubChem CID126776764
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC Name[2-(3-aminopyrrolidine-1-carbonyl)phenyl]-(4-bromophenyl)methanone
SMILESNC1CCN(C(=O)c2ccccc2C(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C18H17BrN2O2/c19-13-7-5-12(6-8-13)17(22)15-3-1-2-4-16(15)18(23)21-10-9-14(20)11-21/h1-8,14H,9-11,20H2
InChIKeyNUPQUAQGCSVEQY-UHFFFAOYSA-N
XLogP2.85
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-aminopyrrolidine-1-carbonyl)phenyl]-(3,4-diethoxyphenyl)methanone
CID 122147673
1-[2-(4-bromobenzoyl)benzoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 47020581
[(3R)-3-aminopyrrolidin-1-yl]-(4-bromo-2-methylphenyl)methanone
CID 81470129
(4-bromophenyl)-[2-(thiomorpholine-4-carbonyl)phenyl]methanone
CID 55868160
[(3S)-3-aminopyrrolidin-1-yl]-(2-chlorophenyl)methanone;hydrochloride
CID 119934556
(3-aminopyrrolidin-1-yl)-(4-bromo-2-chlorophenyl)methanone
CID 62068423
[2-(4-benzoyl-1,4-diazepane-1-carbonyl)phenyl]-(4-bromophenyl)methanone
CID 36616294
(3-aminopyrrolidin-1-yl)-[2-(4-bromophenoxy)-3-pyridinyl]methanone
CID 119482701
[(3S)-3-aminopyrrolidin-1-yl]-(3-bromo-2-methylphenyl)methanone;hydrochloride
CID 119934451
2-(3-aminopiperidine-1-carbonyl)benzoic acid
CID 61403703
(3R)-3-[[2-(4-bromobenzoyl)benzoyl]amino]pyrrolidine-1-carboxamide
CID 99807958
(4-bromophenyl)-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methanone
CID 78842568

Frequently Asked Questions

What is the IUPAC name of [2-(3-aminopyrrolidine-1-carbonyl)phenyl]-(4-bromophenyl)methanone?
The IUPAC name of [2-(3-aminopyrrolidine-1-carbonyl)phenyl]-(4-bromophenyl)methanone (CID 126776764) is [2-(3-aminopyrrolidine-1-carbonyl)phenyl]-(4-bromophenyl)methanone.
What is the SMILES notation for [2-(3-aminopyrrolidine-1-carbonyl)phenyl]-(4-bromophenyl)methanone?
The canonical SMILES for [2-(3-aminopyrrolidine-1-carbonyl)phenyl]-(4-bromophenyl)methanone is NC1CCN(C(=O)c2ccccc2C(=O)c2ccc(Br)cc2)C1.
What is the InChIKey of [2-(3-aminopyrrolidine-1-carbonyl)phenyl]-(4-bromophenyl)methanone?
The InChIKey is NUPQUAQGCSVEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c19-13-7-5-12(6-8-13)17(22)15-3-1-2-4-16(15)18(23)21-10-9-14(20)11-21/h1-8,14H,9-11,20H2.
What are the key properties of [2-(3-aminopyrrolidine-1-carbonyl)phenyl]-(4-bromophenyl)methanone?
[2-(3-aminopyrrolidine-1-carbonyl)phenyl]-(4-bromophenyl)methanone has a molecular weight of 373.25 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-aminopyrrolidine-1-carbonyl)phenyl]-(4-bromophenyl)methanone is sourced from PubChem (CID 126776764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).